A virtual workshop on

Autonomous Discovery in Science and Engineering

A three-day series of talks, tutorials, and discussions for sharing recent developments in autonomous methods, sponsored by


The Center for Advanced Mathematics for Energy Research Applications

Dates: April 20th - 22nd, 2021

Location: Online


Day 1 (April 20th)

Day 2 (April 21st)

Day 3 (April 22nd)

The application of AI/ML methods to experimental and computational sciences, in order to enable autonomy and accelerate discovery, has become an extremely exciting and rapidly-evolving field. The goal of this workshop is to bring together researchers in this field to discuss recent developments and share best practices. This workshop will combine invited talks, moderated breakouts, and tutorial sessions. The talks will be aimed at both experts and newcomers to the field. All researchers, including students and other early-career scientists, are welcome.

Registration is mandatory and free for all workshop participants

Day 1: Methods and Algorithms

Day 1 will set the stage by describing the general concepts of autonomous discovery, and then provide details regarding the latest developments in theory and computational methods.

Day 2: Hands-On Tutorials

Day 2 will offer several tutorials; unique insights into popular software packages, given by the inventors themselves. The presented tools are for autonomous steering, but also for data analysis and visualization.

Day 3: Applications

Day 3 will provide the attendees with illustrative examples of how autonomous discovery is already being used for scientific experiments.

Focus of the Workshop

As our scientific questions become increasingly complex, the underlying parameter spaces that must be explored are growing in size and dimensionality beyond what a human is able to comprehend. ML/AI methods have emerged that provide insights into these high-dimensional spaces, allowing scientists with deep domain expertise to focus on interpretations and decisions that affect the larger scope of their work rather than micromanaging measurements. This workshop will present an overview of the rapidly evolving field of Autonomous Discovery, covering new theoretical methods, real-world applications, and tutorials of selected software packages. Breakout sessions will give attendees the chance to get first-hand experience and to directly engage with others.


Supported by the US Department of Energy Office of Science

Advanced Scientific Computing Research (steven.lee@science.doe.gov)

Basic Energy Sciences (Peter.Lee@science.doe.gov)